(2-octadecyl-1-phenyl-icosyl)azanium chloride

Systemtic Name: (2-octadecyl-1-phenyl-icosyl)azanium chloride Openeye Name: (2-octadecyl-1-phenyl-icosyl)ammonium chloride CAS Name: (2-octadecyl-1-phenyleicosyl)ammonium chloride IUPAC Name: (2-octadecyl-1-phenylicosyl)azanium chloride Traditional Name: (1-phenyl-2-stearyl-eicosyl)ammonium chloride Formula: C44H84ClN MolecularWeight: 662.59746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)C(C1=CC=CC=C1)[NH3+].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)C(C1=CC=CC=C1)[NH3+].[Cl-]

InChI

InChI=1S/C44H83N.ClH/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-38-42(44(45)43-40-36-33-37-41-43)39-35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h33,36-37,40-42,44H,3-32,34-35,38-39,45H2,1-2H3;1H